N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H26N2O5S/c26-23(24-20-7-8-21-22(17-20)30-15-4-14-29-21)19-9-12-25(13-10-19)31(27,28)16-11-18-5-2-1-3-6-18/h1-3,5-8,11,16-17,19H,4,9-10,12-15H2,(H,24,26)/b16-11+